3-(2-cyclobutylethoxy)-N-propylheptan-4-amine

C16H33NO — CID 106201007

IUPAC3-(2-cyclobutylethoxy)-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)OCCC1CCC1
InChIInChI=1S/C16H33NO/c1-4-8-15(17-12-5-2)16(6-3)18-13-11-14-9-7-10-14/h14-17H,4-13H2,1-3H3
InChIKeyDVRMBGCJTGTONP-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds11

About 3-(2-cyclobutylethoxy)-N-propylheptan-4-amine

3-(2-cyclobutylethoxy)-N-propylheptan-4-amine (PubChem CID 106201007) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)-N-propylheptan-4-amine
PubChem CID106201007
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name3-(2-cyclobutylethoxy)-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)OCCC1CCC1
InChIInChI=1S/C16H33NO/c1-4-8-15(17-12-5-2)16(6-3)18-13-11-14-9-7-10-14/h14-17H,4-13H2,1-3H3
InChIKeyDVRMBGCJTGTONP-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-heptoxy-N-propylheptan-4-amine
CID 63474937
6-(2-cyclobutylethoxy)-N-propylhexan-3-amine
CID 106201058
1-cyclohexyl-3-ethyl-N-propylpentan-2-amine
CID 115842226
2-(2-cyclobutylethoxy)-N-methylpentan-1-amine
CID 106206035
2-(2-cyclobutylethoxy)-N-propylpropan-1-amine
CID 106206061
2-(2-cyclobutylethoxy)pentan-1-amine
CID 106206218
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
4-(2-cyclohexylethoxy)hexan-3-ol
CID 143882427
3-(cyclohexylmethoxy)-N-methylheptan-4-amine
CID 55066438
3-cyclopentyl-1,1-difluoro-N-propylpropan-2-amine
CID 103516567
1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine
CID 114193190
2-(2-cyclobutylethoxy)-1-phenylbutan-1-amine
CID 106201059

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)-N-propylheptan-4-amine?
The IUPAC name of 3-(2-cyclobutylethoxy)-N-propylheptan-4-amine (CID 106201007) is 3-(2-cyclobutylethoxy)-N-propylheptan-4-amine.
What is the SMILES notation for 3-(2-cyclobutylethoxy)-N-propylheptan-4-amine?
The canonical SMILES for 3-(2-cyclobutylethoxy)-N-propylheptan-4-amine is CCCNC(CCC)C(CC)OCCC1CCC1.
What is the InChIKey of 3-(2-cyclobutylethoxy)-N-propylheptan-4-amine?
The InChIKey is DVRMBGCJTGTONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-8-15(17-12-5-2)16(6-3)18-13-11-14-9-7-10-14/h14-17H,4-13H2,1-3H3.
What are the key properties of 3-(2-cyclobutylethoxy)-N-propylheptan-4-amine?
3-(2-cyclobutylethoxy)-N-propylheptan-4-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)-N-propylheptan-4-amine is sourced from PubChem (CID 106201007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).